tert-Butyl acetoacetate 乙酰乙酸叔丁酯
CAS 1694-31-1 MFCD00008811
化学结构图
SMILES: CC(=O)CC(=O)OC(C)(C)C
化学属性
| Mol. Formula | C8H14O3 |
|---|---|
| Mol. Weight | 158.20 |
| Density | 0.954 |
| Refractive index | 1.4190 to 1.4210 |
| Flash Point | 66°C(lit.) |
| TSCA | Yes |
| Boiling Point | 184°C at 760 mmHg |
| Melting Point | -38°C |
| pH | :A |
别名和识别编码
| Chemical Name | tert-Butyl acetoacetate |
|---|---|
| MDL Number | MFCD00008811 |
| CAS Number | 1694-31-1 |
| Synonym | tert-Butyl acetoacetate {LY} tert-Butyl acetoacetate {} {LY} tert-Butyl acetoacetate {} {} {LY} tert-Butyl acetoacetate {} {} {} {LY} tert-Butyl acetoacetate {} {} {} {} {LY} tert-Butyl acetoacetate {} {} {} {} {} {LY} tert-Butyl acetoacetate {} {} {} {} {} {} {LY} tert-Butyl acetoacetate {} {} {} {} {} {} {} {LY} tert-Butyl acetoacetate {} {} {} {} {} {} {} {} {LY} tert-Butyl acetoacetate {} {} {} {} {} {} {} {} {} {LY} tert-Butyl acetoacetate {} {} {} {} {} {} {} {} {} {} {LY} tert-Butyl acetoacetate {} {} {} {} {} {} {} {} {} {} {} {LY} tert-Butyl acetoacetate {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} tert-Butyl acetoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} tert-Butyl acetoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} tert-Butyl acetoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} tert-Butyl acetoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} { |
| EC Number | 216-904-5 |
| Beilstein Registry Number | 1680303 |
| PubChem Substance ID | 15538 |
| Reaxys-RN | 1680303 |
| Chemical Name Translation | 乙酰乙酸叔丁酯 |
| LabNetwork Molecule ID | LN00223717 |
| InChI | InChI=1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3 |
| Canonical SMILES | CC(CC(OC(C)(C)C)=O)=O |
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分类
- {SNA} ACS and Reagent Grade Solvents, Amber Glass Bottles, Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks, Reagent, Reagent Grade Solvents, Solvent Bottles, Solvent Packaging Options, Solvent by Application, Solvents
- {SNA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
相关文献及参考
- Alternative to Ethyl acetoacetate, A12544, allowing decarboxylative cleavage of the ester group by acid catalyzed thermolysis, as in a general synthesis of ɑß-unsaturated ketones: Acta Chem. Scand., 17, 2216 (1963). Application in the synthesis of acyloins: Arkiv. Chem., 17, 457 (1961); levulinic acids and δ-keto nitriles: Acta Chem. Scand., 16, 1191, 1324 (1962). Alkylation, NBS bromination and decarboxylative cleavage provide a sequence for the regiospecific synthesis of ɑ-bromo ketones: Synth. Commun., 25, 1045 (1995).
- Beilstein: 3,IV,1536
- The dimetallated species reacts selectively with electrophiles at the 4-position: J. Am. Chem. Soc., 96, 1082 (1974); J. Org. Chem., 43, 788 (1978).
安全信息
- H227 Combustible liquid 可燃液体
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
- P370+P378
- P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
GHS Symbol
其他信息
- 下游产品:4-氯-5-甲基噻吩基[2,3-d!嘧啶 --> 2-(氯甲基)-5-甲基噻吩[2,3-D]嘧啶-4(3H)-酮 --> 2-氨基-4-甲基-噻吩-3-羧酸乙酯
- TCI Shanghai:乙酸乙酰叔丁酯 tert-Butyl Acetoacetate,>;95.0%(GC)(1694-31-1)
- Sigma Aldrich:1694-31-1(sigmaaldrich)
- 海关编码:29183000
- Alfa Aesar:乙酰乙酸叔丁酯,98+% tert-Butyl acetoacetate, 98+%(1694-31-1)
- Acros Organics:乙酰乙酸叔丁酯 tert-Butyl acetoacetate, 99%(1694-31-1)
- MOL 文件:1694-31-1.mol
- 乙酰乙酸叔丁酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0816 乙酰乙酸叔丁酯 tert-Butyl Acetoacetate 25ML 156元 2014/06/02 A0816 乙酰乙酸叔丁酯 tert-Butyl Acetoacetate 500ML 798元 2010/06/21 107785000 乙酰乙酸叔丁酯 tert-Butyl acetoacetate 99% 500 ML 1424元
- 上游原料:叔丁醇 --> 二乙烯酮 --> 甲烷
- MSDS 信息:3-Oxo-butanoic acid 1,1-dimethylethyl ester(1694-31-1).msds
